3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol

C14H24N2O2 — CID 57249904

IUPAC3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol
SMILESCCCCNc1cc(O)ccc1C(CO)NCC
InChIInChI=1S/C14H24N2O2/c1-3-5-8-16-13-9-11(18)6-7-12(13)14(10-17)15-4-2/h6-7,9,14-18H,3-5,8,10H2,1-2H3
InChIKeyHJDNRBKVWUDROA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.25
Rot. Bonds8

About 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol

3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol (PubChem CID 57249904) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol
PubChem CID57249904
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol
SMILESCCCCNc1cc(O)ccc1C(CO)NCC
InChIInChI=1S/C14H24N2O2/c1-3-5-8-16-13-9-11(18)6-7-12(13)14(10-17)15-4-2/h6-7,9,14-18H,3-5,8,10H2,1-2H3
InChIKeyHJDNRBKVWUDROA-UHFFFAOYSA-N
XLogP2.25
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol?
The IUPAC name of 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol (CID 57249904) is 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol.
What is the SMILES notation for 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol?
The canonical SMILES for 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol is CCCCNc1cc(O)ccc1C(CO)NCC.
What is the InChIKey of 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol?
The InChIKey is HJDNRBKVWUDROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-8-16-13-9-11(18)6-7-12(13)14(10-17)15-4-2/h6-7,9,14-18H,3-5,8,10H2,1-2H3.
What are the key properties of 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol?
3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol has a molecular weight of 252.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-4-[1-(ethylamino)-2-hydroxyethyl]phenol is sourced from PubChem (CID 57249904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).